SCHEMBL5009972

SCHEMBL5009972

CCN(CC)C(=O)c1ccccc1N(C)Cc1ccc2nc(N)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HCRTR1 O43613 9/20 0.38
▸ HCRTR2 O43614 9/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ F7 P08709 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4986155 0.74 PLAU (0.40) PLAULMNATSHR
SCHEMBL4985659 0.67 MEN1 (0.42) PLAU
SCHEMBL7281533 0.67 ALDH1A1 (0.60) ALDH1A1HPGDLMNATSHRMAPK1
SCHEMBL30908640 0.66 NOS1 (0.42) PLAUALDH1A1LMNA
SCHEMBL9925939 0.66 BACE1 (0.58) PLAUALDH1A1HPGDLMNA
SCHEMBL21244063 0.66 ALOX5AP (0.51) ALDH1A1HPGDLMNAHCRTR1HCRTR2
SCHEMBL5664871 0.65 PLAU (0.38) PLAULMNATSHR
Hydrochloric Acid SCHEMBL23646295 0.65 ALOX5AP (0.50) ALDH1A1HPGDLMNAHCRTR1HCRTR2
SCHEMBL7288618 0.65 TSHR (0.61) ALDH1A1HPGDLMNATSHRMAPK1
SCHEMBL29822323 0.64 TP53 (0.69) ALDH1A1HPGDLMNATSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468378-B2 Substituted quinoline compounds PFIZER INC. (US) 2008-12-23 — — US disclosed
US-20050234099-A1 Substituted quinoline compounds PFIZER INC 2005-10-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234099-A1 Substituted quinoline compounds APOB, APOL1, MTPN PLAU 3855/4885ALDH1A1 2807/4885HPGD 3106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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